CID 19365899

166978-00-3

Structural Information

Molecular Formula

C₁₁H₁₂O₂

SMILES

CC1(CC(=O)C2=C1C=CC(=C2)O)C

InChI

InChI=1S/C11H12O2/c1-11(2)6-10(13)8-5-7(12)3-4-9(8)11/h3-5,12H,6H2,1-2H3

InChIKey

QFXMNGLZHJLQRO-UHFFFAOYSA-N

Compound name

6-hydroxy-3,3-dimethyl-2H-inden-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 176.08372 Da
Monoisotopic Mass: 2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	177.090996	134.9
[M+Na]+	199.072938	145.5
[M-H]-	175.076444	139.2
[M+NH4]+	194.117543	160.1
[M+K]+	215.046878	142.3
[M+H-H2O]+	159.080980	131.2
[M+HCOO]-	221.081921	157.2
[M+CH3COO]-	235.097571	178.6
[M+Na-2H]-	197.058386	140.7
[M]+	176.08317142	135.5
[M]-	176.08426858	135.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe